3-(Trifluoromethyl)benzenepropanal

C₁₀H₉F₃OCAS 21172-41-8202.18 g/mol

Open in Covalent MOL file

Aldehyde Alkyl halide

Properties

Molecular formula: C₁₀H₉F₃O
Molar mass: 202.18 g/mol
Exact mass: 202.0605 Da
logP: 2.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

21172-41-8

SMILES

O=CCCc1cccc(C(F)(F)F)c1

InChIKey

APCCHYPQHODSBD-UHFFFAOYSA-N

InChI

InChI=1S/C10H9F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5-7H,2,4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzenepropanal, 3-(trifluoromethyl)-
Hydrocinnamaldehyde, m-(trifluoromethyl)-
3-(3-Trifluoromethylphenyl)propionaldehyde
3-[3-(Trifluoromethyl)phenyl]propanal

Work with 3-(Trifluoromethyl)benzenepropanal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(3-Trifluoromethylphenyl)ethylamine52516-30-058 % similar 3-(Trifluoromethyl)benzenepropanol78573-45-255 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-254 % similar Hydrocinnamaldehyde104-53-053 % similar 3-(Trifluoromethyl)benzylamine2740-83-253 % similar 3-(Trifluoromethyl)benzenemethanol349-75-753 % similar 3-(Trifluoromethyl)benzyl bromide402-23-353 % similar 3-(Trifluoromethyl)benzyl chloride705-29-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3'-(Trifluoromethyl)propiophenone1533-03-5 2-(Trifluoromethyl)propiophenone16185-96-9 1-[3-(Trifluoromethyl)phenyl]-2-propanone21906-39-8

Elsewhere

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